N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine

C10H16N2S — CID 105163726

IUPACN-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine
SMILESC=C(C)C(NCC)c1scnc1C
InChIInChI=1S/C10H16N2S/c1-5-11-9(7(2)3)10-8(4)12-6-13-10/h6,9,11H,2,5H2,1,3-4H3
InChIKeyFBAAAOBCKJYDDR-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.68
Rot. Bonds4

About N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine

N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine (PubChem CID 105163726) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine
PubChem CID105163726
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine
SMILESC=C(C)C(NCC)c1scnc1C
InChIInChI=1S/C10H16N2S/c1-5-11-9(7(2)3)10-8(4)12-6-13-10/h6,9,11H,2,5H2,1,3-4H3
InChIKeyFBAAAOBCKJYDDR-UHFFFAOYSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate
CID 102765869
2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid
CID 102765838
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105125558
N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 107893638
N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140832
ethyl (3R)-2,3-dihydroxy-3-(4-methyl-1,3-thiazol-5-yl)propanoate
CID 175760966
ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765950
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine
CID 105181533
N-[(2,3-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140660
1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 104579913
1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005190

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine (CID 105163726) is N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine is C=C(C)C(NCC)c1scnc1C.
What is the InChIKey of N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine?
The InChIKey is FBAAAOBCKJYDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-5-11-9(7(2)3)10-8(4)12-6-13-10/h6,9,11H,2,5H2,1,3-4H3.
What are the key properties of N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine?
N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine has a molecular weight of 196.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 105163726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).